3-[[1-(4-nitrophenyl)pyrrol-1-ium-2-ylidene]methylamino]propan-1-ol

Systemtic Name: 3-[[1-(4-nitrophenyl)pyrrol-1-ium-2-ylidene]methylamino]propan-1-ol Openeye Name: 3-[[1-(4-nitrophenyl)pyrrol-1-ium-2-ylidene]methylamino]propan-1-ol CAS Name: 3-[[1-(4-nitrophenyl)-2-pyrrol-1-iumylidene]methylamino]-1-propanol IUPAC Name: 3-[[1-(4-nitrophenyl)pyrrol-1-ium-2-ylidene]methylamino]propan-1-ol Traditional Name: 3-[[1-(4-nitrophenyl)pyrrol-1-ium-2-ylidene]methylamino]propan-1-ol Formula: C14H16N3O3+ MolecularWeight: 274.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNCCCO)[N+](=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CNCCCO)[N+](=C1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-10-2-8-15-11-14-3-1-9-16(14)12-4-6-13(7-5-12)17(19)20/h1,3-7,9,11,18H,2,8,10H2/p+1